CID 56990247

1706448-90-9

Structural Information

Molecular Formula
C14H25NO4
SMILES
CC(C)(C)OC(=O)NC1(CCCCC1)CCC(=O)O
InChI
InChI=1S/C14H25NO4/c1-13(2,3)19-12(18)15-14(10-7-11(16)17)8-5-4-6-9-14/h4-10H2,1-3H3,(H,15,18)(H,16,17)
InChIKey
UANZWVXYAMRWAD-UHFFFAOYSA-N
Compound name
3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

271.17834 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.18562 165.3
[M+Na]+ 294.16756 167.7
[M-H]- 270.17106 166.1
[M+NH4]+ 289.21216 182.3
[M+K]+ 310.14150 167.1
[M+H-H2O]+ 254.17560 160.4
[M+HCOO]- 316.17654 181.1
[M+CH3COO]- 330.19219 196.0
[M+Na-2H]- 292.15301 167.8
[M]+ 271.17779 162.9
[M]- 271.17889 162.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe